7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

C29H32N4O3 — CID 68955817

IUPAC7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCOc1cc(OC2CCN(C)CC2)c2c(Nc3ccc(OCc4ccccc4)c(C)c3)ncnc2c1
InChIInChI=1S/C29H32N4O3/c1-20-15-22(9-10-26(20)35-18-21-7-5-4-6-8-21)32-29-28-25(30-19-31-29)16-24(34-3)17-27(28)36-23-11-13-33(2)14-12-23/h4-10,15-17,19,23H,11-14,18H2,1-3H3,(H,30,31,32)
InChIKeyGRRYSKOBLSJHGJ-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.74
Rot. Bonds8

About 7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (PubChem CID 68955817) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
PubChem CID68955817
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCOc1cc(OC2CCN(C)CC2)c2c(Nc3ccc(OCc4ccccc4)c(C)c3)ncnc2c1
InChIInChI=1S/C29H32N4O3/c1-20-15-22(9-10-26(20)35-18-21-7-5-4-6-8-21)32-29-28-25(30-19-31-29)16-24(34-3)17-27(28)36-23-11-13-33(2)14-12-23/h4-10,15-17,19,23H,11-14,18H2,1-3H3,(H,30,31,32)
InChIKeyGRRYSKOBLSJHGJ-UHFFFAOYSA-N
XLogP5.74
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The IUPAC name of 7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (CID 68955817) is 7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.
What is the SMILES notation for 7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The canonical SMILES for 7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is COc1cc(OC2CCN(C)CC2)c2c(Nc3ccc(OCc4ccccc4)c(C)c3)ncnc2c1.
What is the InChIKey of 7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The InChIKey is GRRYSKOBLSJHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-20-15-22(9-10-26(20)35-18-21-7-5-4-6-8-21)32-29-28-25(30-19-31-29)16-24(34-3)17-27(28)36-23-11-13-33(2)14-12-23/h4-10,15-17,19,23H,11-14,18H2,1-3H3,(H,30,31,32).
What are the key properties of 7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine has a molecular weight of 484.60 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is sourced from PubChem (CID 68955817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).